3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one

C17H19N3O — CID 1487330

IUPAC3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCCCn1c(-c2ccc[nH]c2=O)nc2cc(C)c(C)cc21
InChIInChI=1S/C17H19N3O/c1-4-8-20-15-10-12(3)11(2)9-14(15)19-16(20)13-6-5-7-18-17(13)21/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)
InChIKeyKLBOPMHPTPLEGD-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.42
Rot. Bonds3

About 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one

3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 1487330) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID1487330
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one
SMILESCCCn1c(-c2ccc[nH]c2=O)nc2cc(C)c(C)cc21
InChIInChI=1S/C17H19N3O/c1-4-8-20-15-10-12(3)11(2)9-14(15)19-16(20)13-6-5-7-18-17(13)21/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)
InChIKeyKLBOPMHPTPLEGD-UHFFFAOYSA-N
XLogP3.42
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one (CID 1487330) is 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one is CCCn1c(-c2ccc[nH]c2=O)nc2cc(C)c(C)cc21.
What is the InChIKey of 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is KLBOPMHPTPLEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-8-20-15-10-12(3)11(2)9-14(15)19-16(20)13-6-5-7-18-17(13)21/h5-7,9-10H,4,8H2,1-3H3,(H,18,21).
What are the key properties of 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one?
3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 1487330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).